Geometry & MOs

Info

ID:	30964
PubChem CID:	854006
Reduced:	ON2C19H22 (1)
Stoich.:	AB2C19D22 (1)
Weight, g/mol:	248.098334
ΔH_f, kcal/mol:	13.15
Dipole, Da:	4.42
IP(EA), eV:	-9.3(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(piperidin-1-ylmethyl)-1,3-benzoxazole-2-thione

Drug info:

PubChemData

Smile

C=C[C@H]1CN2CC[C@@H]1C[C@H]2[C@H](C3=CC=NC4=CC=CC=C34)O

DOS

IR

Vibrations